2-(difluoromethyl)-4-methyl-2H-1,3-oxazol-5-one

C5H5F2NO2 — CID 11768726

IUPAC2-(difluoromethyl)-4-methyl-2H-1,3-oxazol-5-one
SMILESCC1=NC(C(F)F)OC1=O
InChIInChI=1S/C5H5F2NO2/c1-2-5(9)10-4(8-2)3(6)7/h3-4H,1H3
InChIKeyCEVWGOYYCZJNBA-UHFFFAOYSA-N
MW149.10 g/mol
LogP0.60
Rot. Bonds1

About 2-(difluoromethyl)-4-methyl-2H-1,3-oxazol-5-one

2-(difluoromethyl)-4-methyl-2H-1,3-oxazol-5-one (PubChem CID 11768726) has the molecular formula C5H5F2NO2 and a molecular weight of 149.10 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-methyl-2H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(difluoromethyl)-4-methyl-2H-1,3-oxazol-5-one
PubChem CID11768726
Molecular FormulaC5H5F2NO2
Molecular Weight149.10 g/mol
Exact Mass149.03
IUPAC Name2-(difluoromethyl)-4-methyl-2H-1,3-oxazol-5-one
SMILESCC1=NC(C(F)F)OC1=O
InChIInChI=1S/C5H5F2NO2/c1-2-5(9)10-4(8-2)3(6)7/h3-4H,1H3
InChIKeyCEVWGOYYCZJNBA-UHFFFAOYSA-N
XLogP0.60
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.10
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-methyl-2H-1,3-oxazol-5-one?
The IUPAC name of 2-(difluoromethyl)-4-methyl-2H-1,3-oxazol-5-one (CID 11768726) is 2-(difluoromethyl)-4-methyl-2H-1,3-oxazol-5-one.
What is the SMILES notation for 2-(difluoromethyl)-4-methyl-2H-1,3-oxazol-5-one?
The canonical SMILES for 2-(difluoromethyl)-4-methyl-2H-1,3-oxazol-5-one is CC1=NC(C(F)F)OC1=O.
What is the InChIKey of 2-(difluoromethyl)-4-methyl-2H-1,3-oxazol-5-one?
The InChIKey is CEVWGOYYCZJNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2NO2/c1-2-5(9)10-4(8-2)3(6)7/h3-4H,1H3.
What are the key properties of 2-(difluoromethyl)-4-methyl-2H-1,3-oxazol-5-one?
2-(difluoromethyl)-4-methyl-2H-1,3-oxazol-5-one has a molecular weight of 149.10 g/mol, XLogP of 0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-methyl-2H-1,3-oxazol-5-one is sourced from PubChem (CID 11768726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).